1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione

C32H33NO5 — CID 23773223

IUPAC1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)CC(c3ccc(OCc4ccccc4)cc3)C3=C2CC(C)(C)CC3=O)c1
InChIInChI=1S/C32H33NO5/c1-32(2)18-28-31(29(34)19-32)27(17-30(35)33(28)23-14-25(36-3)16-26(15-23)37-4)22-10-12-24(13-11-22)38-20-21-8-6-5-7-9-21/h5-16,27H,17-20H2,1-4H3
InChIKeyVIXIWCFMVYTCDI-UHFFFAOYSA-N
MW511.62 g/mol
LogP6.45
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione

1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 23773223) has the molecular formula C32H33NO5 and a molecular weight of 511.62 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID23773223
Molecular FormulaC32H33NO5
Molecular Weight511.62 g/mol
Exact Mass511.24
IUPAC Name1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)CC(c3ccc(OCc4ccccc4)cc3)C3=C2CC(C)(C)CC3=O)c1
InChIInChI=1S/C32H33NO5/c1-32(2)18-28-31(29(34)19-32)27(17-30(35)33(28)23-14-25(36-3)16-26(15-23)37-4)22-10-12-24(13-11-22)38-20-21-8-6-5-7-9-21/h5-16,27H,17-20H2,1-4H3
InChIKeyVIXIWCFMVYTCDI-UHFFFAOYSA-N
XLogP6.45
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 23773223) is 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione is COc1cc(OC)cc(N2C(=O)CC(c3ccc(OCc4ccccc4)cc3)C3=C2CC(C)(C)CC3=O)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is VIXIWCFMVYTCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO5/c1-32(2)18-28-31(29(34)19-32)27(17-30(35)33(28)23-14-25(36-3)16-26(15-23)37-4)22-10-12-24(13-11-22)38-20-21-8-6-5-7-9-21/h5-16,27H,17-20H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 511.62 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 23773223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).